ethyl 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enoxy]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(E)-3-(4-cyanophenyl)acryloyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C24H20N2O4 MolecularWeight: 400.4266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C=CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)/C=C/C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C24H20N2O4/c1-3-29-24(28)23-16(2)19-6-4-5-7-20(19)26-21(23)15-30-22(27)13-12-17-8-10-18(14-25)11-9-17/h4-13H,3,15H2,1-2H3/b13-12+